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Compile Data Set for Download or QSAR

Found 167 hits Enz. Inhib. hit(s) with all data for entry = 4275   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Large T antigen


(Simian virus 40)		BDBM32189
PNG
(8-amino-7-hydroxy-4-methyl-1-benzopyran-2-one | 8-...)
Show SMILES Cc1cc(=O)oc2c(N)c(O)ccc12
Show InChI InChI=1S/C10H9NO3/c1-5-4-8(13)14-10-6(5)2-3-7(12)9(10)11/h2-4,12H,11H2,1H3
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n/an/a 770n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM60400
PNG
(1-[4-[4-[(5-methyl-2-thienyl)methylamino]phenyl]pi...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(NCc2ccc(C)s2)cc1
Show InChI InChI=1S/C18H23N3OS/c1-14-3-8-18(23-14)13-19-16-4-6-17(7-5-16)21-11-9-20(10-12-21)15(2)22/h3-8,19H,9-13H2,1-2H3
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n/an/a 3.48E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM60351
PNG
(MLS000070198 | SMR000011058 | cid_654792 | dibenzo...)
Show SMILES Oc1ccc2c(c1)oc1cc(O)ccc21
Show InChI InChI=1S/C12H8O3/c13-7-1-3-9-10-4-2-8(14)6-12(10)15-11(9)5-7/h1-6,13-14H
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n/an/a 3.50E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM50309563
PNG
(2-(2-(3,4-dihydroxyphenyl)-2-oxoethylthio)-4-(meth...)
Show SMILES COCc1cc(C)nc(SCC(=O)c2ccc(O)c(O)c2)c1C#N
Show InChI InChI=1S/C17H16N2O4S/c1-10-5-12(8-23-2)13(7-18)17(19-10)24-9-16(22)11-3-4-14(20)15(21)6-11/h3-6,20-21H,8-9H2,1-2H3
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n/an/a 3.71E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM52079
PNG
((5,5-diketo-6H-benzo[c][1,2]benzothiazin-9-yl)amin...)
Show SMILES Nc1ccc2NS(=O)(=O)c3ccccc3-c2c1
Show InChI InChI=1S/C12H10N2O2S/c13-8-5-6-11-10(7-8)9-3-1-2-4-12(9)17(15,16)14-11/h1-7,14H,13H2
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n/an/a 3.99E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM60399
PNG
(4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylimino)-1,7-d...)
Show SMILES Oc1ccc(cc1)-c1nc2c[nH]ccn2c1=Nc1ccc2OCCOc2c1 |w:16.19|
Show InChI InChI=1S/C20H16N4O3/c25-15-4-1-13(2-5-15)19-20(24-8-7-21-12-18(24)23-19)22-14-3-6-16-17(11-14)27-10-9-26-16/h1-8,11-12,21,25H,9-10H2/b22-20-
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n/an/a 4.14E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM38939
PNG
((4E)-3-hydroxy-4-[[(4-methyl-2-methylimino-1,3-thi...)
Show SMILES CN=c1scc(C)n1N=Cc1ccc(O)cc1O |w:8.8,1.0|
Show InChI InChI=1S/C12H13N3O2S/c1-8-7-18-12(13-2)15(8)14-6-9-3-4-10(16)5-11(9)17/h3-7,16-17H,1-2H3
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n/an/a 4.27E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM60403
PNG
(1-phenyl-4-pyrazolol | 1-phenylpyrazol-4-ol | MLS0...)
Show SMILES Oc1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C9H8N2O/c12-9-6-10-11(7-9)8-4-2-1-3-5-8/h1-7,12H
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n/an/a 4.71E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM40577
PNG
(4-(4-Pyrrolidin-1-yl-quinazolin-2-ylamino)-phenol ...)
Show SMILES Oc1ccc(Nc2nc(N3CCCC3)c3ccccc3n2)cc1
Show InChI InChI=1S/C18H18N4O/c23-14-9-7-13(8-10-14)19-18-20-16-6-2-1-5-15(16)17(21-18)22-11-3-4-12-22/h1-2,5-10,23H,3-4,11-12H2,(H,19,20,21)
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Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM60363
PNG
((4E)-4-[[(5-amino-1-tetrazolyl)amino]methylidene]-...)
Show SMILES COc1cc(C=Nn2nnnc2N)ccc1O |w:6.6|
Show InChI InChI=1S/C9H10N6O2/c1-17-8-4-6(2-3-7(8)16)5-11-15-9(10)12-13-14-15/h2-5,16H,1H3,(H2,10,12,14)
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n/an/a 4.83E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM60389
PNG
(2-methoxy-4-(2-methyl-1,3-thiazol-4-yl)phenol | 2-...)
Show SMILES COc1cc(ccc1O)-c1csc(C)n1
Show InChI InChI=1S/C11H11NO2S/c1-7-12-9(6-15-7)8-3-4-10(13)11(5-8)14-2/h3-6,13H,1-2H3
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n/an/a 4.90E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM49291
PNG
(MLS000061602 | N-[4-(diethylamino)phenyl]-2-furami...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2ccco2)cc1
Show InChI InChI=1S/C15H18N2O2/c1-3-17(4-2)13-9-7-12(8-10-13)16-15(18)14-6-5-11-19-14/h5-11H,3-4H2,1-2H3,(H,16,18)
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n/an/a 5.01E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM60350
PNG
(3-Methyl-5-[(4-morpholin-4-yl-phenylamino)-methyl]...)
Show SMILES Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNc3ccc(cc3)N3CCOCC3)cc12
Show InChI InChI=1S/C24H25N5O2/c1-17-22-15-18(24(30)26-23(22)29(27-17)21-5-3-2-4-6-21)16-25-19-7-9-20(10-8-19)28-11-13-31-14-12-28/h2-10,15,25H,11-14,16H2,1H3,(H,26,30)
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n/an/a 5.01E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM58960
PNG
((4E)-2-methoxy-4-(3-phenylimino-1,7-dihydroimidazo...)
Show SMILES COc1cc(ccc1O)-c1nc2c[nH]ccn2c1=Nc1ccccc1 |w:18.21|
Show InChI InChI=1S/C19H16N4O2/c1-25-16-11-13(7-8-15(16)24)18-19(21-14-5-3-2-4-6-14)23-10-9-20-12-17(23)22-18/h2-12,20,24H,1H3
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n/an/a 5.05E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM39017
PNG
((E)-3-[4-(dimethylamino)anilino]-1-phenyl-2-propen...)
Show SMILES CN(C)c1ccc(cc1)N=CCC(=O)c1ccccc1 |w:9.9|
Show InChI InChI=1S/C17H18N2O/c1-19(2)16-10-8-15(9-11-16)18-13-12-17(20)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3
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n/an/a 5.19E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM60382
PNG
(3-[4-(4-hydroxyphenyl)-1-piperazinyl]-1-(2-thienyl...)
Show SMILES Oc1ccc(cc1)N1CCN(CC1)C1CC(=O)N(Cc2cccs2)C1=O
Show InChI InChI=1S/C19H21N3O3S/c23-15-5-3-14(4-6-15)20-7-9-21(10-8-20)17-12-18(24)22(19(17)25)13-16-2-1-11-26-16/h1-6,11,17,23H,7-10,12-13H2
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n/an/a 5.41E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM60381
PNG
(2-[(4-hydroxyanilino)methylene]-5,5-dimethyl-cyclo...)
Show SMILES [#6]C1([#6])[#6]-[#6](=O)\[#6](=[#6]\[#7]-c2ccc(-[#8])cc2)-[#6](=O)-[#6]1
Show InChI InChI=1S/C15H17NO3/c1-15(2)7-13(18)12(14(19)8-15)9-16-10-3-5-11(17)6-4-10/h3-6,9,16-17H,7-8H2,1-2H3
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n/an/a 5.53E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM60349
PNG
(4-[4-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)-pyridi...)
Show SMILES Oc1ccc(cc1)N1CCN(CC1)C(c1nnnn1C1CCCC1)c1ccncc1
Show InChI InChI=1S/C22H27N7O/c30-20-7-5-18(6-8-20)27-13-15-28(16-14-27)21(17-9-11-23-12-10-17)22-24-25-26-29(22)19-3-1-2-4-19/h5-12,19,21,30H,1-4,13-16H2
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n/an/a 5.61E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM60379
PNG
(MLS000093093 | N-[4-(dimethylamino)phenyl]-2-[(4-k...)
Show SMILES CN(C)c1ccc(NC(=O)CSc2nc3CCCCc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C18H22N4O2S/c1-22(2)13-9-7-12(8-10-13)19-16(23)11-25-18-20-15-6-4-3-5-14(15)17(24)21-18/h7-10H,3-6,11H2,1-2H3,(H,19,23)(H,20,21,24)
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n/an/a 5.87E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM60355
PNG
(2-ACETAMIDOPHENOL | 2-hydroxyacetanilide | MLS0000...)
Show SMILES CC(=O)Nc1ccccc1O
Show InChI InChI=1S/C8H9NO2/c1-6(10)9-7-4-2-3-5-8(7)11/h2-5,11H,1H3,(H,9,10)
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n/an/a 6.20E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM60343
PNG
(MLS000035128 | N-[9-[2-[4-(dimethylamino)anilino]-...)
Show SMILES [H]C12CCCC([H])(CC(C1)NC(=O)c1cccc(OC)c1)N2CC(=O)Nc1ccc(cc1)N(C)C
Show InChI InChI=1S/C26H34N4O3/c1-29(2)21-12-10-19(11-13-21)27-25(31)17-30-22-7-5-8-23(30)16-20(15-22)28-26(32)18-6-4-9-24(14-18)33-3/h4,6,9-14,20,22-23H,5,7-8,15-17H2,1-3H3,(H,27,31)(H,28,32)
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n/an/a 6.24E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM60383
PNG
((2E)-2-[(4-hydroxyanilino)methylene]cyclohexanone ...)
Show SMILES Oc1ccc(NC=C2CCCCC2=O)cc1 |w:6.5|
Show InChI InChI=1S/C13H15NO2/c15-12-7-5-11(6-8-12)14-9-10-3-1-2-4-13(10)16/h5-9,14-15H,1-4H2
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Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM60395
PNG
(4-(3-fluoranyl-4-oxidanyl-phenyl)benzoic acid | 4-...)
Show SMILES OC(=O)c1ccc(cc1)-c1ccc(O)c(F)c1
Show InChI InChI=1S/C13H9FO3/c14-11-7-10(5-6-12(11)15)8-1-3-9(4-2-8)13(16)17/h1-7,15H,(H,16,17)
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n/an/a 6.76E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM60374
PNG
(MLS000047422 | N-[4-(dimethylamino)phenyl]-2-[4-(2...)
Show SMILES CN(C)c1ccc(NC(=O)CN2CCN(CC2)c2ccccc2F)cc1
Show InChI InChI=1S/C20H25FN4O/c1-23(2)17-9-7-16(8-10-17)22-20(26)15-24-11-13-25(14-12-24)19-6-4-3-5-18(19)21/h3-10H,11-15H2,1-2H3,(H,22,26)
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n/an/a 7.19E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM4375
PNG
((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Show SMILES OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
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n/an/a 7.30E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM60397
PNG
(MLS000115777 | N-(4-hydroxyphenyl)-8-quinolinesulf...)
Show SMILES Oc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1
Show InChI InChI=1S/C15H12N2O3S/c18-13-8-6-12(7-9-13)17-21(19,20)14-5-1-3-11-4-2-10-16-15(11)14/h1-10,17-18H
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n/an/a 7.36E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM60385
PNG
(MLS000051916 | N-(4-anilinophenyl)-4-morpholinecar...)
Show SMILES O=C(Nc1ccc(Nc2ccccc2)cc1)N1CCOCC1
Show InChI InChI=1S/C17H19N3O2/c21-17(20-10-12-22-13-11-20)19-16-8-6-15(7-9-16)18-14-4-2-1-3-5-14/h1-9,18H,10-13H2,(H,19,21)
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n/an/a 7.43E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM51541
PNG
(2-(4-Amino-phenyl)-4-chloro-3H-benzoimidazol-5-yla...)
Show SMILES Nc1ccc(cc1)-c1nc2ccc(N)c(Cl)c2[nH]1
Show InChI InChI=1S/C13H11ClN4/c14-11-9(16)5-6-10-12(11)18-13(17-10)7-1-3-8(15)4-2-7/h1-6H,15-16H2,(H,17,18)
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n/an/a 7.64E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM42946
PNG
((6-morpholino-1,3-benzothiazol-2-yl)amine | 6-(4-m...)
Show SMILES Nc1nc2ccc(cc2s1)N1CCOCC1
Show InChI InChI=1S/C11H13N3OS/c12-11-13-9-2-1-8(7-10(9)16-11)14-3-5-15-6-4-14/h1-2,7H,3-6H2,(H2,12,13)
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Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM60369
PNG
((2Z)-2-(1H-benzimidazol-2-yl)-2-(1-methyl-2-pyridi...)
Show SMILES CN1C=CC=C\C1=C(/C#N)c1nc2ccccc2[nH]1 |c:2,4|
Show InChI InChI=1S/C15H12N4/c1-19-9-5-4-8-14(19)11(10-16)15-17-12-6-2-3-7-13(12)18-15/h2-9H,1H3,(H,17,18)/b14-11-
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n/an/a 7.70E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM60371
PNG
(MLS000098716 | N-(6-amino-1-benzyl-2,4-diketo-pyri...)
Show SMILES CCN(C(=O)CN1CCN(CC1)c1ccc(O)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C25H30N6O4/c1-2-30(21(33)17-28-12-14-29(15-13-28)19-8-10-20(32)11-9-19)22-23(26)31(25(35)27-24(22)34)16-18-6-4-3-5-7-18/h3-11,32H,2,12-17,26H2,1H3,(H,27,34,35)
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n/an/a 7.74E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM34278
PNG
(1-(3,4-dihydroxyphenyl)-2-[[4-ethyl-5-(2-methoxyph...)
Show SMILES CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccc1OC
Show InChI InChI=1S/C19H19N3O4S/c1-3-22-18(13-6-4-5-7-17(13)26-2)20-21-19(22)27-11-16(25)12-8-9-14(23)15(24)10-12/h4-10,23-24H,3,11H2,1-2H3
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n/an/a 7.83E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM38617
PNG
(MLS000092916 | N-[2-(diethylamino)ethyl]-5-(4-keto...)
Show SMILES CCN(CC)CCNC(=O)CCCCn1c(=S)[nH]c2c3cc(OC)ccc3[nH]c2c1=O
Show InChI InChI=1S/C22H31N5O3S/c1-4-26(5-2)13-11-23-18(28)8-6-7-12-27-21(29)20-19(25-22(27)31)16-14-15(30-3)9-10-17(16)24-20/h9-10,14,24H,4-8,11-13H2,1-3H3,(H,23,28)(H,25,31)
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n/an/a 8.17E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM49221
PNG
(4-[[(4-methyl-2-methylimino-1,3-thiazol-3-yl)amino...)
Show SMILES CN=c1scc(C)n1N=Cc1ccc(O)cc1 |w:8.8,1.0|
Show InChI InChI=1S/C12H13N3OS/c1-9-8-17-12(13-2)15(9)14-7-10-3-5-11(16)6-4-10/h3-8,16H,1-2H3
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n/an/a 8.35E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM60386
PNG
(2-(3-amino-5-chloro-4-hydroxy-benzyl)isoindoline-1...)
Show SMILES Nc1cc(CN2C(=O)c3ccccc3C2=O)cc(Cl)c1O
Show InChI InChI=1S/C15H11ClN2O3/c16-11-5-8(6-12(17)13(11)19)7-18-14(20)9-3-1-2-4-10(9)15(18)21/h1-6,19H,7,17H2
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n/an/a 8.42E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM60384
PNG
((4-acetamidophenyl) 2-(1,3-dioxoisoindol-2-yl)-4-m...)
Show SMILES CC(=O)Nc1ccc(OC(=O)C(CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C21H20N2O7S/c1-13(24)22-14-7-9-15(10-8-14)30-21(27)18(11-12-31(2,28)29)23-19(25)16-5-3-4-6-17(16)20(23)26/h3-10,18H,11-12H2,1-2H3,(H,22,24)
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n/an/a 8.46E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM33061
PNG
(4-N,4-N-dimethyl-1-N-(4-pyridin-3-yl-1,3-thiazol-2...)
Show SMILES CN(C)c1ccc(Nc2nc(cs2)-c2cccnc2)cc1
Show InChI InChI=1S/C16H16N4S/c1-20(2)14-7-5-13(6-8-14)18-16-19-15(11-21-16)12-4-3-9-17-10-12/h3-11H,1-2H3,(H,18,19)
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n/an/a 8.54E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM31758
PNG
(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quin...)
Show SMILES Cc1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:9|
Show InChI InChI=1S/C14H15NO2/c1-8-5-6-12-11(7-8)9-3-2-4-10(9)13(15-12)14(16)17/h2-3,5-7,9-10,13,15H,4H2,1H3,(H,16,17)
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n/an/a 9.10E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM60404
PNG
(3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-N-[4-(di...)
Show SMILES CN(C)c1ccc(NC(=O)c2cccc(c2)-n2c(O)ccc2O)cc1
Show InChI InChI=1S/C19H19N3O3/c1-21(2)15-8-6-14(7-9-15)20-19(25)13-4-3-5-16(12-13)22-17(23)10-11-18(22)24/h3-12,23-24H,1-2H3,(H,20,25)
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n/an/a 9.21E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM60358
PNG
(4-N,4-N-dimethyl-1-N-(5-methyl-4,5-dihydro-1,3-thi...)
Show SMILES CC1CN=C(Nc2ccc(cc2)N(C)C)S1 |t:3|
Show InChI InChI=1S/C12H17N3S/c1-9-8-13-12(16-9)14-10-4-6-11(7-5-10)15(2)3/h4-7,9H,8H2,1-3H3,(H,13,14)
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n/an/a 9.27E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM38869
PNG
(2-(4-Amino-phenyl)-7-chloro-3H-benzoimidazol-5-yla...)
Show SMILES Nc1ccc(cc1)-c1nc2c(Cl)cc(N)cc2[nH]1
Show InChI InChI=1S/C13H11ClN4/c14-10-5-9(16)6-11-12(10)18-13(17-11)7-1-3-8(15)4-2-7/h1-6H,15-16H2,(H,17,18)
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n/an/a 9.32E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM58948
PNG
(4-[[4-(2-oxolanylmethylamino)-2-quinazolinyl]amino...)
Show SMILES Oc1ccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)cc1
Show InChI InChI=1S/C19H20N4O2/c24-14-9-7-13(8-10-14)21-19-22-17-6-2-1-5-16(17)18(23-19)20-12-15-4-3-11-25-15/h1-2,5-10,15,24H,3-4,11-12H2,(H2,20,21,22,23)
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n/an/a 9.48E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM32060
PNG
(MLS000053494 | SMR000063563 | [4-(4-hydroxyphenyl)...)
Show SMILES Oc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C21H20N2O2/c24-20-9-7-19(8-10-20)22-11-13-23(14-12-22)21(25)18-6-5-16-3-1-2-4-17(16)15-18/h1-10,15,24H,11-14H2
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n/an/a 9.84E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM60361
PNG
(2-amino-5-(4-aminophenyl)-3-thiophenecarboxylic ac...)
Show SMILES CCOC(=O)c1cc(sc1N)-c1ccc(N)cc1
Show InChI InChI=1S/C13H14N2O2S/c1-2-17-13(16)10-7-11(18-12(10)15)8-3-5-9(14)6-4-8/h3-7H,2,14-15H2,1H3
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n/an/a 9.87E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM52077
PNG
(3-Amino-4-piperidin-1-yl-5,6,7,7a-tetrahydro-inden...)
Show SMILES N=C1C(C#N)C(C#N)(C#N)C2CCCC(N3CCCCC3)=C12 |t:21|
Show InChI InChI=1S/C17H19N5/c18-9-13-16(21)15-12(17(13,10-19)11-20)5-4-6-14(15)22-7-2-1-3-8-22/h12-13,21H,1-8H2
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n/an/a 9.99E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM60388
PNG
(MLS000064396 | N-[4-(dimethylamino)phenyl]-2-(3-ke...)
Show SMILES CN(C)c1ccc(NC(=O)CC2NCCNC2=O)cc1
Show InChI InChI=1S/C14H20N4O2/c1-18(2)11-5-3-10(4-6-11)17-13(19)9-12-14(20)16-8-7-15-12/h3-6,12,15H,7-9H2,1-2H3,(H,16,20)(H,17,19)
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n/an/a 1.01E+4n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM36908
PNG
(2-methoxy-4-(5-piperidin-1-ylpenta-1,3-diynyl)phen...)
Show SMILES COc1cc(ccc1O)C#CC#CCN1CCCCC1
Show InChI InChI=1S/C17H19NO2/c1-20-17-14-15(9-10-16(17)19)8-4-2-5-11-18-12-6-3-7-13-18/h9-10,14,19H,3,6-7,11-13H2,1H3
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n/an/a 1.03E+4n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM58949
PNG
(MLS000033552 | N-(4-Dimethylamino-phenyl)-2-[4-(4-...)
Show SMILES CN(C)c1ccc(NC(=O)CN2CCC(CC2)C(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C22H26FN3O2/c1-25(2)20-9-7-19(8-10-20)24-21(27)15-26-13-11-17(12-14-26)22(28)16-3-5-18(23)6-4-16/h3-10,17H,11-15H2,1-2H3,(H,24,27)
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n/an/a 1.04E+4n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM39248
PNG
(5-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,...)
Show SMILES COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)NCCN4CCCC4)c3=O)c2c1
Show InChI InChI=1S/C22H29N5O3S/c1-30-15-7-8-17-16(14-15)19-20(24-17)21(29)27(22(31)25-19)12-3-2-6-18(28)23-9-13-26-10-4-5-11-26/h7-8,14,24H,2-6,9-13H2,1H3,(H,23,28)(H,25,31)
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n/an/a 1.04E+4n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
Large T antigen


(Simian virus 40)		BDBM32041
PNG
(3-[[(Z)-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-yli...)
Show SMILES CCCc1nc2ccccc2c(=O)n1N=Cc1ccc(O)c(O)c1 |w:14.15|
Show InChI InChI=1S/C18H17N3O3/c1-2-5-17-20-14-7-4-3-6-13(14)18(24)21(17)19-11-12-8-9-15(22)16(23)10-12/h3-4,6-11,22-23H,2,5H2,1H3
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n/an/a 1.05E+4n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
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